In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.30 | 7.44 | -29.37 | 1 | 4 | 1 | 39 | 328.889 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 5.27 | -7.33 | 0 | 4 | 0 | 38 | 327.881 | 6 | ↓ |